SCHEMBL4701340

SCHEMBL4701340

O=C(c1cc(-c2ccoc2)co1)N1CCN2CCC1CC2

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 4/20 0.57
CHRNA4 P43681 2/20 0.53
CHRNA3 P32297 2/20 0.39
HTR3A P46098 1/20 0.38
UGCG Q16739 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4700143 0.85 CHRNA7 (0.60) CHRNA7CHRNA4CHRNA3HTR3A
SCHEMBL4700659 0.83 CHRNA7 (0.54) CHRNA7CHRNA4CHRNA3HTR3AUGCG
SCHEMBL4701161 0.82 CHRNA7 (0.67) CHRNA7CHRNA3HTR3A
SCHEMBL4703322 0.81 CHRNA7 (0.51) CHRNA7HTR3A
SCHEMBL4701806 0.81 CHRNA7 (0.52) CHRNA7CHRNA3HTR3AUGCG
SCHEMBL4700669 0.81 CHRNA7 (0.54) CHRNA7HTR3A
SCHEMBL4700208 0.81 CHRNA7 (0.51) CHRNA7CHRNA3HTR3A
SCHEMBL4703810 0.80 CHRNA7 (0.50) CHRNA7CHRNA3HTR3A
SCHEMBL4705416 0.79 CHRNA7 (0.53) CHRNA7CHRNA4CHRNA3HTR3A
SCHEMBL4704639 0.79 CHRNA7 (0.46) CHRNA7CHRNA3HTR3A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539765-B1 BIARYL DIAZABICYCLOALKANE AMIDES AS NICOTINIC ACETYLCHOLINE AGONISTS ASTRAZENECA AB (SE) 2008-12-10 EP claimed
US-20050239774-A1 Biaryl diazabicycloalkane amides as nicotinic acetylcholine agonists ASTRAZENECA AB (SE) 2005-10-27 US claimed
EP-1539765-B1 BIARYL DIAZABICYCLOALKANE AMIDES AS NICOTINIC ACETYLCHOLINE AGONISTS ASTRAZENECA AB (SE) 2008-12-10 EP disclosed
US-20050239774-A1 Biaryl diazabicycloalkane amides as nicotinic acetylcholine agonists ASTRAZENECA AB (SE) 2005-10-27 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050239774-A1 Biaryl diazabicycloalkane amides as nicotinic acetylcholine agonists CHRNA1, CHRNB1, CHRNA2 CHRNA7 6/4885CHRNA4 14/4885CHRNA3 8/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.